(8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

C28H33N5O3 — CID 166663972

About (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

(8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 166663972) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

• Compound Name: (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
• PubChem CID: 166663972
• Molecular Formula: C28H33N5O3
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.26
• IUPAC Name: (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
• SMILES: C[C@@H]1c2nc(Nc3cc4c(C(C)(N)C5CC5)cnc(OC5(C)CC5)c4cn3)ccc2C(=O)OC1(C)C
• InChI: InChI=1S/C28H33N5O3/c1-15-23-17(25(34)36-26(15,2)3)8-9-21(33-23)32-22-12-18-19(13-30-22)24(35-27(4)10-11-27)31-14-20(18)28(5,29)16-6-7-16/h8-9,12-16H,6-7,10-11,29H2,1-5H3,(H,30,32,33)/t15-,28?/m1/s1
• InChIKey: JVURBFJWRQRYEU-AATNMNKESA-N
• XLogP: 5.34
• TPSA: 112.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

The IUPAC name of (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 166663972) is (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.

What is the SMILES notation for (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

The canonical SMILES for (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is C[C@@H]1c2nc(Nc3cc4c(C(C)(N)C5CC5)cnc(OC5(C)CC5)c4cn3)ccc2C(=O)OC1(C)C.

What is the InChIKey of (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

The InChIKey is JVURBFJWRQRYEU-AATNMNKESA-N. The full InChI is InChI=1S/C28H33N5O3/c1-15-23-17(25(34)36-26(15,2)3)8-9-21(33-23)32-22-12-18-19(13-30-22)24(35-27(4)10-11-27)31-14-20(18)28(5,29)16-6-7-16/h8-9,12-16H,6-7,10-11,29H2,1-5H3,(H,30,32,33)/t15-,28?/m1/s1.

What are the key properties of (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

(8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 487.60 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 166663972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).